Table 5: Vertical excitation energies (in eV) and dominant electron configuration of the lowest electronic states of $\textit {l}$-SiCCC. These energies are given with respect to the X3 $\Sigma ^{-}$ ground state.
State CASSCF/cc-pVTZa MRCI+Q/cc-pVTZb MCQDPTc Electron configuration
$X^{3}\Sigma^{-}$ 0.0 0.0 0.0 $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^2 $
$ {}^1 \Delta $ 0.30 0.29 0.40 $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^2 $
$ {}^1\Sigma^{+}$ 0.44 0.46 0.46 $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^2 $
$ {}^1 \Sigma^- $ 2.10 2.20   $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^1 (4 \pi)^1 $
$ {}^3 \Delta $ 2.16 2.29   $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^1 (4 \pi)^1 $
$ {}^3 \Sigma^+ $ 2.17 2.35   $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^1 (4 \pi)^1 $
$ {}^3 \Pi $ 2.42 2.50   $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^3 $
$ {}^1 \Pi $ 3.61 3.22   $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^3 $
$ {}^5 \Pi $ 3.44 3.80   $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^2 (4 \pi)^1 $
$ {}^3 \Pi $ 4.70 4.53   $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^2 (4 \pi)^1 $
$ {}^5 \Sigma^- $ 4.54 4.78   $ (11 \sigma)^2 (2 \pi)^3 (3 \pi)^2 (4 \pi)^1 $
$ {}^5 \Delta $ 4.67 4.92   $ (11 \sigma)^2 (2 \pi)^3 (3 \pi)^2 (4 \pi)^1 $
$ {}^5 \Sigma^+ $ 4.77 5.02   $ (11 \sigma)^2 (2 \pi)^3 (3 \pi)^2 (4 \pi)^1 $
$ {}^1 \Pi $ 5.77 5.63   $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^3 $
$ {}^5 \Pi $ 6.01 6.34   $ (11 \sigma)^1 (2 \pi)^3 (3 \pi)^3 (4 \pi)^1 $
a E(CASSCF/cc-pVTZ) = -402.4642666 $E_{\rm h}$; b E(MRCI+Q/cc-pVTZ) = -402.896849 $E_{\rm h}$;
c (MCQDPT/aug-cc-pVDZ) (Rintelman et al. 2001).


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